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Compound Detail

CHEMBL1180636

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Oc1ccc2c(c1)O[C@H](CN1CCc3ccccc3C1)CC2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1180636
Phase Preclinical
Structure Type MOL
InChI Key IWUPLAFLTUWLMF-SFHVURJKSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

295.4
MW (Da)
3.14
ALogP
3
HBA
1
HBD
32.7
PSA (Ų)
0.92
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H21NO2
MW 295.38
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness 0.11

Data from ChEMBL 36 via Core Engine